N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide

C117H91BrF13N15O10 — CID 160849403

About N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide

N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 160849403) has the molecular formula C117H91BrF13N15O10 and a molecular weight of 2193.99 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide
• PubChem CID: 160849403
• Molecular Formula: C117H91BrF13N15O10
• Molecular Weight: 2193.99 g/mol
• Exact Mass: 2191.60
• IUPAC Name: N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1Br.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3cnccn3)ccc2C(F)(F)F)cc1
• InChI: InChI=1S/C30H24F3N3O3.C29H22BrF3N4O2.C29H22F4N4O2.C29H23F3N4O3/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)39-29(2,3)28(38)36(24)25-9-4-5-16-34-25;2*1-16-8-10-18(15-22(16)30)36-25(38)20-14-17(9-11-21(20)29(31,32)33)19-6-4-7-23-24(19)28(2,3)26(39)37(23)27-34-12-5-13-35-27;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)39-28(2,3)27(38)36(23)24-16-33-13-14-34-24/h4-17H,1-3H3,(H,35,37);2*4-15H,1-3H3,(H,36,38);4-16H,1-3H3,(H,35,37)
• InChIKey: SJBGPRGVGGFFBX-UHFFFAOYSA-N
• XLogP: 27.98
• TPSA: 306.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2193.99
LogP ≤ 5	27.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide?

The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 160849403) is N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide.

What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide?

The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1Br.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3cnccn3)ccc2C(F)(F)F)cc1.

What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide?

The InChIKey is SJBGPRGVGGFFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N3O3.C29H22BrF3N4O2.C29H22F4N4O2.C29H23F3N4O3/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)39-29(2,3)28(38)36(24)25-9-4-5-16-34-25;2*1-16-8-10-18(15-22(16)30)36-25(38)20-14-17(9-11-21(20)29(31,32)33)19-6-4-7-23-24(19)28(2,3)26(39)37(23)27-34-12-5-13-35-27;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)39-28(2,3)27(38)36(23)24-16-33-13-14-34-24/h4-17H,1-3H3,(H,35,37);2*4-15H,1-3H3,(H,36,38);4-16H,1-3H3,(H,35,37).

What are the key properties of N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide?

N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 2193.99 g/mol, XLogP of 27.98, 16 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-4-methylphenyl)-5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 160849403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).